1. Comparative MolecularField Analysis (CoMFA)Pinky Sheetal V1801110004 M.Tech Bioinformatics 2. Introduction• CoMFA (Comparative Molecular Field Analysis) is a 3D QSAR…
1. Molecular Docking 2. Docking Challenge• Identification of the ligand’s correctbinding geometry in the binding site(Binding Mode)• Observation:– Similar ligands…
Potential Energy Surfaces, Energy Minimization Methods, and Transition State Modeling Outline Potential Energy Surface (PES) Energy Minimization Methods (Algorithms) Global…
Discrimination of near-native structures by clustering docked conformations and the selection of the optimal radius D. Kozakov1, K. H. Clodfelter2, C. J. Camacho1,3, and…
Slide 1 Slide 2 Molecular Docking G. Schaftenaar Slide 3 Docking Challenge Identification of the ligand’s correct binding geometry in the binding site ( Binding Mode )…